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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Big Data Analysis of Massive PMU Datasets: A Data Platform Perspective

The discovery of `event signatures' and useful insights from very large historical Phasor Measurement Unit (PMU) datasets is predicated on offline Big Data analysis approaches that rely on the generation of predictive features on a massive scale. This paper presents lessons learned from a data platform perspective towards reducing barriers to adoption of Big Data analytics against a real dataset of almost half a trillion data points drawn from over 400 PMUs distributed across the North American power grid. We demonstrate software abstractions and targeted performance optimizations that can lead to significant productivity gains for power systems researchers seeking to perform offline exploratory temporal analysis and modeling tasks, with a focus on feature generation. We describe how our optimized approach goes beyond a naive application of mainstream Big Data technologies, enabling feature generation tasks, that previously took days or even weeks, to now be completed in just a few hours.

Kumar, Vijay S.↗
DOE OSTI2020

Cost and Efficiency Analysis for Hybrid AC/DC Distribution System Planning with PV and Battery

Distribution system planning is one of the main tasks for the electric utilities. Cost and energy efficiency are two main concerns in the distribution planning process. In this work, cost and efficiency analyses are conducted for the hybrid AC and DC distribution grids for the planning purposes. The IEEE 34-bus feeder has been applied for the case studies. The investment cost, operation and maintenance cost, replacement cost, etc., have been considered in the life cycle cost analysis. Power losses of both the AC and DC section are calculated with an open source simulation tool, the Open Distribution Simulator Software (OpenDSS). The proposed framework can be applied to quantitatively evaluate the cost and efficiency of hybrid AC and DC distribution grids and help comparing different planning options.

AC/DC hybrid system planning↗
DOE OSTI2022

A transcriptome software comparison for the analyses of treatments expected to give subtle gene expression responses

Background: In this comparative study we evaluate the performance of four software tools: DNAstar-D (DESeq2), DNAstar-E (edgeR), CLC Genomics and Partek Flow for identification of differentially expressed genes (DEGs) using a transcriptome of E. coli. The RNA-seq data are from the effect of below-background radiation 5.5 nGy total dose (0.2nGy/hr) on E. coli grown shielded from natural radiation 655 m below ground in a pre-World War II steel vault. The gene expression response to three supplemented sources of radiation designed to mimic natural background, 1952 – 5720 nGy in total dose (71–208 nGy/hr), are compared to this “radiation-deprived” treatment. In addition, RNA-seq data of Caenorhabditis elegans nematode from similar radiation treatments was analyzed by three of the software packages. Results: In E. coli, the four software programs identified one of the supplementary sources of radiation (KCl) to evoke about 5 times more transcribed genes than the minus-radiation treatment (69–114 differentially expressed genes, DEGs), and so the rest of the analyses used this KCl vs “Minus” comparison. After imposing a 30-read minimum cutoff, one of the DNAStar options shared two of the three steps (mapping, normalization, and statistic) with Partek Flow (they both used median of ratios to normalize and the DESeq2 statistical package), and these two programs identified the highest number of DEGs in common with each other (53). In contrast, when the programs used different approaches in each of the three steps, between 31 and 40 DEGs were found in common. Regarding the extent of expression differences, three of the four programs gave high fold-change results (15–178 fold), but one (DNAstar’s DESeq2) resulted in more conservative fold-changes (1.5–3.5). In a parallel study comparing three qPCR commercial validation software programs, these programs also gave variable results as to which genes were significantly regulated. Similarly, the C. elegans analysis showed exaggerated fold-changes in CLC and DNAstar’s edgeR while DNAstar-D was more conservative. Conclusions: Regarding the extent of expression (fold-change), and considering the subtlety of the very low level radiation treatments, in E. coli three of the four programs gave what we consider exaggerated fold-change results (15 – 178 fold), but one (DNAstar’s DESeq2) gave more realistic fold-changes (1.5–3.5). When RT-qPCR validation comparisons to transcriptome results were carried out, they supported the more conservative DNAstar-D’s expression results. When another model organism’s (nematode) response to these radiation differences was similarly analyzed, DNAstar-D also resulted in the most conservative expression patterns. Therefore, we would propose DESeq2 (“DNAstar-D”) as an appropriate software tool for differential gene expression studies for treatments expected to give subtle transcriptome responses.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

TDCOSMO. X. Automated modeling of nine strongly lensed quasars and comparison between lens-modeling software

When strong gravitational lenses are to be used as an astrophysical or cosmological probe, models of their mass distributions are often needed. We present a new, time-efficient automation code for the uniform modeling of strongly lensed quasars with GLEE, a lens-modeling software for multiband data. By using the observed positions of the lensed quasars and the spatially extended surface brightness distribution of the host galaxy of the lensed quasar, we obtain a model of the mass distribution of the lens galaxy. We applied this uniform modeling pipeline to a sample of nine strongly lensed quasars for which images were obtained with the Wide Field Camera 3 of the Hubble Space Telescope. The models show well-reconstructed light components and a good alignment between mass and light centroids in most cases. We find that the automated modeling code significantly reduces the input time during the modeling process for the user. The time for preparing the required input files is reduced by a factor of 3 from ~3 h to about one hour. The active input time during the modeling process for the user is reduced by a factor of 10 from ~ 10 h to about one hour per lens system. This automated uniform modeling pipeline can efficiently produce uniform models of extensive lens-system samples that can be used for further cosmological analysis. A blind test that compared our results with those of an independent automated modeling pipeline based on the modeling software Lenstronomy revealed important lessons. Quantities such as Einstein radius, astrometry, mass flattening, and position angle are generally robustly determined. Other quantities, such as the radial slope of the mass density profile and predicted time delays, depend crucially on the quality of the data and on the accuracy with which the point spread function is reconstructed. Better data and/or a more detailed analysis are necessary to elevate our automated models to cosmography grade. Nevertheless, our pipeline enables the quick selection of lenses for follow-up and further modeling, which significantly speeds up the construction of cosmography-grade models. This important step forward will help us to take advantage of the increase in the number of lenses that is expected in the coming decade, which is an increase of several orders of magnitude.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Unlocking Scholarly Insights: Leveraging Machine Learning Approaches for Citation Analysis and Intent Classification

Publicly funded organizations, notably institutions like the Los Alamos National Laboratory (LANL), are deeply vested in acquiring robust productivity metrics to gauge the entirety of their research output. Motivated by the imperative to enhance institutional productivity assessment, this study investigates the utilization of Large Language Models (LLM) such as BERT-based models, as well as local LLaMa-30b-instruct and Mixtral-8x7b-instruct architectures for classifying type of URL referenced resources in academic papers such as software, dataset, as well as authorship intent. Challenges in discerning resource types from context are highlighted, along with the potential of BERT and LLMs to address these challenges. Through comprehensive analysis, this research unveils a notable surge in documents featuring URL citations, indicative of the escalating importance of digital resources in scholarly publications. Moreover, citations to datasets and software demonstrate consistent growth over time, underscoring their increasing significance. Our findings also reveal that LANL authors contribute substantially to accessible science, comprising about 10% of dataset and software mentions in LANL

Large Language Models, BERT, citation classificati↗
DOE OSTI2022

Framework For Optimization Of Resources And Economics Ecosystem

The Framework for Optimization of ResourCes and Economics is a collection of software tools, models, and datasets acquired and developed under the Integrated Energy Systems (IES) program to enable analysis of technical and economic viability of myriad IES configurations. FORCE is the consolidating interface and data repository for all the IES toolsets ranging from macro technoeconomic analysis to transient process modeling and experimental validation for integrated energy systems.

Frick, KonorL↗
DOE OSTI2023

A python package for analyzing Resilience of Complex Systems (pyRoCS) v.0.0

SAND2024-01040O PyRoCS software synthesizes mathematical equations from several domains—including information theory, ecology, and engineering sciences—to support resilience analysis for complex systems. Resilience is the ability of the complex system being analyzed to withstand, operate through, and recover from a disruption. The complex system can be a physical system such as an electric grid, an organization such as a company, or even a subfunction of an organization. Existing mathematical equations for resilience analysis are found within multiple domains including information theory, biological sciences, and complex systems. This package synthesizes and refactors equations from these various domains to make them more generalizable for application across different types of complex systems relevant for resilience analysis. Users will be able to apply these equations to characterize different components of complex systems based on available data. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Verzi, Stephen↗
DOE OSTI2025

Cadmus v1.0

This software package is for distributed computation of persistent (co)homology. It is primarily intended for Topological Data Analysis (TDA) audience and scientists who use TDA methods and apply them to datasets that are too big to handle on a single machine. There are very few codes available for this; Cadmus outperforms DIPHA, if the user is interested in cohomology. The accompanying paper explaining the algorithm was accepted to ALENEX 26.

Nigmetov, Arnur [Lawrence Berkeley National Labora↗
DOE OSTI2022

Real-Time Drilling Optimization System for Improved Overall Rate of Penetration and Reduced Cost Per Foot in Geothermal Drilling

The key to success in geothermal drilling is economic feasibility, and a major cost in the development of geothermal resources is the actual drilling of the wells. In this project, a real-time drilling optimization system for geothermal drilling was developed. The system couples three individual components while drilling. The first component is a drill stem vibration analysis model, the second is Mechanical Specific Energy (MSE) analyses, and the third is a detailed PDC Rate of Penetration (ROP) drill bit model for optimum RPM and WOB combinations. The benefit of the coupled system is that the range of WOB and RPM could be selected to avoid drill stem vibrations. Secondly, MSE is used as an efficiency measure and the detailed PDC drill bit model ensures the drill bit does not endure temperatures that exceed the temperature at which the PDC cutters experience accelerated wear. The new detailed PDC bit model is based on rock/bit interaction that physically tracks the PDC cutter wear flats as the bit drills ahead giving the capability to calculate the temperature being generated underneath the worn cutters to better advise on operational parameters to avoid accelerated cutter wear and failure and to ensure that operational parameters are applied so that overall ROP is maximized. By combining the drill stem vibrations and the detailed PDC bit cutter wear and “safe” non-accelerated cutter wear temperature and optimum ranges of operating parameters, it results in higher ROP and lower cost drilling. Single cutter PDC testing performed in different lithologies at Sandia was utilized to verify the PDC cutter forces and depth of cut for new and worn cutters. Based on single cutter PDC temperature modeling, verification using single cutter data from the testing done by National Oilwell Varco (NOV) was performed. Sandia’s Hard-Rock Drilling Facility (HRDF) was utilized to test different drill bit configurations with different cutter designs and wear status with different induced modes of vibration to obtain the critical bit RPM/WOB ranges resulting in ineffective drilling and low ROP. The collected test data were further used to verify and calibrate the full hole PDC ROP model that was developed based on single cutter interaction data. A full coupled drill stem vibration model was formulated and verified with geothermal field data from the Chocolate Mountain Aerial Gunnery Range (CMAGR). A graphical user interface (GUI) was developed using Tkinter library in the computer programming language Python, which integrates all the developed models in one system. The developed system consists mainly of the PDC ROP model, PDC bit wear model, PDC cutter temperature model, Mechanical Specific Energy (MSE) model, and drillstring vibration model integrated into one system. The developed system can be used for both, post well analysis and real-time optimization using different criteria such as ROP maximization or MSE minimization. The software uses Differential Evolution Algorithm (DEA) to find optimum values for operational parameters based on last foot drilled while avoiding the drillstring vibration and cutter temperature critical operating parameters.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

Griffin Software Development Plan

Griffin is a MOOSE-based reactor physics application for advanced reactor multiphysics modeling and simulation. The application is developed in a consistent multiphysics environment with strong software quality assurance. Griffin inherited most of the capabilities of MAMMOTH/Rattlesnake and is adopting the capabilities from PROTEUS that are needed in the code. The toolset includes a variety of deterministic radiation transport solvers for fixed source, k-eigenvalue, ad-joint, and subcritical multiplication, as well as transient solvers for point-kinetics, improved quasi-static, and spatial dynamics. The code contains the cross-section preparation capabilities applicable to fast and thermal reactors, including TRISO-fueled reactors. Core management capabilities include core performance, fuel depletion and shuffling, equilibrium core calculation, pebble-bed reactor run-in and equilibrium core, molten-salt reactor delayed neutron precursor drift, and control rod and drum movement with cusping correction. This software development plan presents the current and future capabilities and features in Griffin for the design and analysis of non-light-water reactor systems in steady-state and transient conditions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

University of Missouri Research Reactor (MURR) Design Demonstration Element End Fitting Structural Rigidity Analysis

The primary objective of this work is to assess the extent to which the stiffness (measured by means of maximum displacement) of the end fittings in the DDE contributes to the stiffness of the entire element, and how it compares to the equivalent stiffness of the end fittings in the LEU element. Structural analysis of both the LEU element and the DDE were performed using COMSOL 5.3a finite element software. Supporting combs are used on the leading and trailing edges of fuel plates for both the LEU element and the DDE. Therefore, simulations with and without combs are performed as two bounding boundary conditions on the leading edge of the fuel plates. Three types of loads are analyzed in this work: the hydraulic load due to the channel flow disparity-induced pressure differential, the thermal load due to the thermal expansion of the fuel plates, and a point load equal in magnitude to the LEU element’s weight.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Combining machine-learned and empirical force fields with the parareal algorithm: application to the diffusion of atomistic defects

We numerically investigate an adaptive version of the parareal algorithm in the context of molecular dynamics. This adaptive variant has been originally introduced in [1]. We focus here on test cases of physical interest where the dynamics of the system is modelled by the Langevin equation and is simulated using the molecular dynamics software LAMMPS. In this work, the parareal algorithm uses a family of machine-learning spectral neighbor analysis potentials (SNAP) as fine, reference, potentials and embedded-atom method potentials (EAM) as coarse potentials. We consider a self-interstitial atom in a tungsten lattice and compute the average residence time of the system in metastable states. Our numerical results demonstrate significant computational gains using the adaptive parareal algorithm in comparison to a sequential integration of the Langevin dynamics. We also identify a large regime of numerical parameters for which statistical accuracy is reached without being a consequence of trajectorial accuracy.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Trigger-DAQ and Slow Controls Systems in the Mu2e Experiment

The muon campus program at Fermilab includes the Mu2e experiment that will search for a charged-lepton flavor violating processes where a negative muon converts into an electron in the field of an aluminum nucleus, improving by four orders of magnitude the search sensitivity reached so far. Mu2e's Trigger and Data Acquisition System (TDAQ) uses otsdaq as its solution. Developed at Fermilab, otsdaq uses the artdaq DAQ framework and art analysis framework, under the-hood, for event transfer, filtering, and processing. otsdaq is an online DAQ software suite with a focus on flexibility and scalability, while providing a multi-user, web-based, interface accessible through the Chrome or Firefox web browser. The detector Read Out Controller (ROC), from the tracker and calorimeter, stream out zero-suppressed data continuously to the Data Transfer Controller (DTC). Data is then read over the PCIe bus to a software filter algorithm that selects events which are finally combined with the data flux that comes froma Cosmic Ray Ve to System (CRV). A Detector Control System (DCS) for monitoring, controlling, alarming, and archiving has been developed using the Experimental Physics and Industrial Control System (EPICS) Open Source Platform. The DCS System has also been itegrated into otsdaq. The installation of the TDAQ and the DCS systems in the Mu2e building is planned for 2021-2022, and a prototype has been built at Fermilab's Feynman Computing Center. We report here on the developments and achievements of the integration of Mu2e's DCS system into the online otsdaq software.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

FORCE Output Data Visualization

The Framework for Optimization of ResourCes and Economics (FORCE) is a collection of software tools, models, and datasets acquired and developed under the Integrated Energy Systems (IES) program to enable analysis of technical and economic viability of myriad IES configurations. Idaho National Laboratory is hosting a training session for FORCE users and developers, which is "Integrated Energy Systems Tools FORCE Overview and Training 2023." We will present data output visualization results with FORCE scenarios as examples and show how does the new design improve existing automated visualization for analysis results.

25 ENERGY STORAGE↗
DOE OSTI2025

Comparing Control Performance Between Simulation and Experiment using the Microreactor Automated Control System Testbed

In the advanced reactor domain, a flexible and scalable software/hardware infrastructure is crucial for integrating and validating various control technologies. This study used the Microreactor Automated Control System (MACS) hardware platform as a testbed. MACS was originally designed to mirror Idaho National Laboratory (INL)'s Microreactor Applications Research Validation and Evaluation (MARVEL), a 85-kW thermal fission microreactor. It features control drums for simulated reactivity control; lights that function as a surrogate reactor core, with the brightness being proportional to the reactor power; and light sensors that emulate neutron detectors. To transform MACS into a physical twin of MARVEL for evaluating control methods, the Control and Optimization Modular Modeling Application for Nuclear Deployment (COMMAND) software was employed. This software integrated the hardware with two models of the MARVEL core, based on Reactor Excursion and Leak Analysis Program (RELAP5-3D) and Monte Carlo N-Particle (MCNP) models. The study aimed to demonstrate the gap between control theory and actual practice—a gap that often necessitates empirical adjustments such as control gain retuning, filters, time discretization, and integrator anti-windup measures. Controllers were developed based on increasingly complex simulations without hardware, starting from the base MARVEL model and then introducing actuator saturation constraints and sensor noise. The final control strategy was then tested using MACS, and a comparative performance analysis was conducted.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗
DOE OSTI2022

A Review of Technologies that can Provide a 'Root of Trust' for Operational Technologies

The supply chain attack pathway is being increasingly used by adversaries to bypass security controls and gain unauthorized access to sensitive networks and equipment (e.g., Critical Digital Assets). Cyber-attacks targeting supply chain generally aim to compromise the environments, products, or services of vendors and suppliers to inject, add, or substitute authentic software and hardware with malicious elements. These malicious elements are deemed to be authentic as they arise from the vendor or supplier (i.e., the supply chain). This research aims at providing a survey of technologies that have the potential to reduce exposure of sensitive networks and equipment to these attacks, thereby improving tamper resistance. The recent advances in the performance and capabilities of these technologies in recent years has increased their potential applications to reduce or mitigate exposure of the supply chain attack pathway. The focus being on providing an analysis of the benefits and disadvantages of smart cards, secure tokens, and elements to provide root of trust. This analysis provides evidence that these roots of trust can increase the technical capability of equipment and networks to authenticate changes to software and configuration thereby increasing resilience to some supply chain attacks, such as those related to logistics and ICT channels, but not development environment attacks.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

Face Recognition Oak Ridge (FaRO): A Framework for Distributed and Scalable Biometrics Applications

The facial biometrics community has seen a recent abundance of high-accuracy facial analytic models become freely available. Although these models' capabilities in facial detection, landmark detection, attribute analysis, and recognition are ever-increasing, they aren't always straightforward to deploy in a real-world environment. In reality, the use of the field's ever growing collection of models is becoming exceedingly difficult as library dependencies update and deprecate. Researchers often encounter headaches when attempting to utilize multiple models requiring different or conflicting software packages. Face Recognition Oak Ridge (FaRO) is an open-source project designed to provide a highly modular, flexible framework for unifying facial analytic models through a compartmentalized plug-and-play paradigm built on top of the gRPC (Google Remote Procedure Call) protocol. FaRO's server-client architecture and flexible portability allows easy construction of modularized and heterogeneous face analysis pipelines, distributed over many machines with differing hardware and software resources. This paper outlines FaRO's architecture and current capabilities, along with some experiments in model testing and distributed scaling through FaRO.

Bolme, David↗
DOE OSTI2020

The parallelism motifs of genomic data analysis

Genomic datasets are growing dramatically as the cost of sequencing continues to decline and small sequencing devices become available. Enormous community databases store and share these data with the research community, but some of these genomic data analysis problems require large-scale computational platforms to meet both the memory and computational requirements. These applications differ from scientific simulations that dominate the workload on high-end parallel systems today and place different requirements on programming support, software libraries and parallel architectural design. For example, they involve irregular communication patterns such as asynchronous updates to shared data structures. We consider several problems in high-performance genomics analysis, including alignment, profiling, clustering and assembly for both single genomes and metagenomes. We identify some of the common computational patterns or ‘motifs’ that help inform parallelization strategies and compare our motifs to some of the established lists, arguing that at least two key patterns, sorting and hashing, are missing. This article is part of a discussion meeting issue ‘Numerical algorithms for high-performance computational science’.

59 BASIC BIOLOGICAL SCIENCES↗